ethyl 1-[(2-methylphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate

C24H31NO2 — CID 54669714

IUPACethyl 1-[(2-methylphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCc2ccccc2)CCN(Cc2ccccc2C)CC1
InChIInChI=1S/C24H31NO2/c1-3-27-23(26)24(14-13-21-10-5-4-6-11-21)15-17-25(18-16-24)19-22-12-8-7-9-20(22)2/h4-12H,3,13-19H2,1-2H3
InChIKeyCMAGLNMTYOLPSL-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.77
Rot. Bonds7

About ethyl 1-[(2-methylphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate

ethyl 1-[(2-methylphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate (PubChem CID 54669714) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is ethyl 1-[(2-methylphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-methylphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate
PubChem CID54669714
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Nameethyl 1-[(2-methylphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCc2ccccc2)CCN(Cc2ccccc2C)CC1
InChIInChI=1S/C24H31NO2/c1-3-27-23(26)24(14-13-21-10-5-4-6-11-21)15-17-25(18-16-24)19-22-12-8-7-9-20(22)2/h4-12H,3,13-19H2,1-2H3
InChIKeyCMAGLNMTYOLPSL-UHFFFAOYSA-N
XLogP4.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-methylphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2-methylphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate (CID 54669714) is ethyl 1-[(2-methylphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2-methylphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2-methylphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate is CCOC(=O)C1(CCc2ccccc2)CCN(Cc2ccccc2C)CC1.
What is the InChIKey of ethyl 1-[(2-methylphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate?
The InChIKey is CMAGLNMTYOLPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-3-27-23(26)24(14-13-21-10-5-4-6-11-21)15-17-25(18-16-24)19-22-12-8-7-9-20(22)2/h4-12H,3,13-19H2,1-2H3.
What are the key properties of ethyl 1-[(2-methylphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate?
ethyl 1-[(2-methylphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate has a molecular weight of 365.52 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-methylphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate is sourced from PubChem (CID 54669714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).